CAS 957054-33-0 Pictilisib Bismesylate (HCID 56972143)

基本情報

CAS: 957054-33-0
標準SMILES: CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CS(=O)(=O)O.CS(=O)(=O)O
InChIKey: RFRIKACSFOTIMU-UHFFFAOYSA-N
分子式: C25H35N7O9S4
平均分子量: 705.9 g/mol
単同位体質量: 705.13791041

概要

Pictilisib Bismesylate is the orally bioavailable bismesylate salt of pictilisib, a small molecule inhibitor of class I phosphatidylinositol 3 kinase (PI3K), with potential antineoplastic activity. Upon administration, pictilisib selectively binds to PI3K in an ATP-competitive manner, inhibiting the production of the secondary messenger phosphatidylinositol-3,4,5-trisphosphate (PIP3) and activation of the PI3K/Akt signaling pathway. This may result in inhibition of tumor cell growth, motility and survival in susceptible tumor cell populations. Activation of the PI3K/Akt signaling pathway is frequently associated with tumorigenesis; dysregulated PI3K/Akt signaling may contribute to tumor resistance to a variety of antineoplastic agents.

名称と識別子

優先名称: Pictilisib Bismesylate
IUPAC: 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methanesulfonic acid
現地名: GDC-0941重メシル酸塩
英語名: GDC-0941 Bimesylate
分子式: C24H30N7O6S3
分子量: 608.7333

名称と別名

GDC-0941 dimesylatePictilisib bismesylatePictilisib dimesylateG3D7HF2GS9UNII-G3D7HF2GS9GDC-0941 BismesylateThieno(3,2-d)pyrimidine, 2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)-1-piperazinyl)methyl)-4-(4-morpholinyl)-, methanesulfonate (1:2)Thieno[3,2-d]pyrimidine, 2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-, methanesulfonate (1:2)2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno(3,2-d)pyrimidine, bimesylate salt2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, bimesylate saltRefChem:174205957054-33-0

名称をさらに表示

GDC-0941重メシル酸塩Pictilisib mesylatePictilisib (GDC-0941)GDC-0941 (2 MeSO3H salt)GDC 0941 (2 MeSO3H salt)GDC-0941 Bimesylate USP/EP/BPGDC-0941 BiMesylate/pictilisib

GDC-0941 dimethanesulfonateGDC-0941 BimesylatePictilisib (dimethanesulfonate)Pictilisib dimethanesulfonateGDC-0941 (dimethanesulfonate)GDC 0941 bimesylate4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methanesulfonic acid4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine dimethanesulfonate

物性

構造計算による物性

極性表面積: 270 Å²
水素結合供与体数: 3
水素結合受容体数: 16
回転可能結合数: 5
重原子数: 45
形式電荷: 0
複雑度: 924

物理化学的性質

融点: 280 °C · >280°C (dec.)
貯蔵温度: Refrigerator
溶解性: DMSO（微量、加温）、メタノール（微量）
外見: 個体
色: 白色～淡黄色

化学的性質

化学的特性Off-White Solid

化学と産業

応用分野

使用Potent inhibitor of Phosphatidylinositol 3-kinase (PI3K)

サプライヤー59 社

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]

上海波以尔化工有限公司[email protected]

United Life Science020-82099279 18988941402 · [email protected]

InvivoChem中国13549236410 · [email protected]

化合物ノート

読み込み中…

GDC-0941重メシル酸塩